USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 604 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -56:sc= 0.221 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0667 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.556 K(o=-0.56,f=-1.2!) USER MOD Single : A 17 MET CE :methyl 167:sc= 0 (180deg=-0.0478) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -3.79! C(o=-3.8!,f=-3.5!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -118:sc= 0 (180deg=-0.975) USER MOD Single : A 63 HIS : no HD1:sc= -1.63! C(o=-1.6!,f=-3.3!) USER MOD Single : A 64 THR OG1 : rot 35:sc= 0.115 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 THR OG1 : rot 79:sc= 1.21 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.995 -4.164 12.030 1.00 0.00 N ATOM 2 CA GLY A 1 -23.990 -3.613 12.931 1.00 0.00 C ATOM 3 C GLY A 1 -23.641 -2.211 13.392 1.00 0.00 C ATOM 4 O GLY A 1 -22.621 -2.003 14.050 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.279 -5.123 11.744 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.917 -3.560 11.187 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.075 -4.205 12.513 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.959 -3.598 12.432 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.089 -4.264 13.800 1.00 0.00 H new ATOM 8 N SER A 2 -24.487 -1.247 13.045 1.00 0.00 N ATOM 9 CA SER A 2 -24.260 0.143 13.423 1.00 0.00 C ATOM 10 C SER A 2 -22.779 0.496 13.328 1.00 0.00 C ATOM 11 O SER A 2 -22.235 1.178 14.197 1.00 0.00 O ATOM 12 CB SER A 2 -24.766 0.396 14.844 1.00 0.00 C ATOM 13 OG SER A 2 -24.825 1.784 15.124 1.00 0.00 O ATOM 0 H SER A 2 -25.337 -1.403 12.502 1.00 0.00 H new ATOM 0 HA SER A 2 -24.812 0.778 12.730 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.755 -0.045 14.965 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.108 -0.095 15.561 1.00 0.00 H new ATOM 0 HG SER A 2 -23.943 2.185 14.976 1.00 0.00 H new ATOM 19 N SER A 3 -22.132 0.026 12.266 1.00 0.00 N ATOM 20 CA SER A 3 -20.713 0.289 12.058 1.00 0.00 C ATOM 21 C SER A 3 -20.481 1.745 11.667 1.00 0.00 C ATOM 22 O SER A 3 -19.579 2.403 12.184 1.00 0.00 O ATOM 23 CB SER A 3 -20.155 -0.636 10.975 1.00 0.00 C ATOM 24 OG SER A 3 -20.730 -0.349 9.712 1.00 0.00 O ATOM 0 H SER A 3 -22.568 -0.539 11.537 1.00 0.00 H new ATOM 0 HA SER A 3 -20.192 0.096 12.996 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.072 -0.523 10.919 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.354 -1.674 11.241 1.00 0.00 H new ATOM 0 HG SER A 3 -20.355 -0.953 9.037 1.00 0.00 H new ATOM 30 N GLY A 4 -21.304 2.243 10.750 1.00 0.00 N ATOM 31 CA GLY A 4 -21.173 3.618 10.304 1.00 0.00 C ATOM 32 C GLY A 4 -20.867 3.721 8.823 1.00 0.00 C ATOM 33 O GLY A 4 -19.988 4.480 8.415 1.00 0.00 O ATOM 0 H GLY A 4 -22.059 1.719 10.308 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.096 4.156 10.519 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.380 4.106 10.870 1.00 0.00 H new ATOM 37 N SER A 5 -21.593 2.954 8.015 1.00 0.00 N ATOM 38 CA SER A 5 -21.391 2.959 6.571 1.00 0.00 C ATOM 39 C SER A 5 -22.639 2.464 5.846 1.00 0.00 C ATOM 40 O SER A 5 -23.216 1.439 6.211 1.00 0.00 O ATOM 41 CB SER A 5 -20.191 2.084 6.201 1.00 0.00 C ATOM 42 OG SER A 5 -19.729 2.381 4.895 1.00 0.00 O ATOM 0 H SER A 5 -22.326 2.322 8.336 1.00 0.00 H new ATOM 0 HA SER A 5 -21.194 3.985 6.259 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.387 2.241 6.920 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.471 1.032 6.261 1.00 0.00 H new ATOM 0 HG SER A 5 -18.961 1.811 4.682 1.00 0.00 H new ATOM 48 N SER A 6 -23.049 3.199 4.818 1.00 0.00 N ATOM 49 CA SER A 6 -24.231 2.838 4.043 1.00 0.00 C ATOM 50 C SER A 6 -23.849 1.990 2.834 1.00 0.00 C ATOM 51 O SER A 6 -23.367 2.506 1.827 1.00 0.00 O ATOM 52 CB SER A 6 -24.970 4.096 3.585 1.00 0.00 C ATOM 53 OG SER A 6 -25.267 4.942 4.683 1.00 0.00 O ATOM 0 H SER A 6 -22.581 4.048 4.502 1.00 0.00 H new ATOM 0 HA SER A 6 -24.890 2.251 4.683 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.360 4.636 2.860 1.00 0.00 H new ATOM 0 HB3 SER A 6 -25.893 3.815 3.078 1.00 0.00 H new ATOM 0 HG SER A 6 -25.738 5.740 4.363 1.00 0.00 H new ATOM 59 N GLY A 7 -24.069 0.683 2.943 1.00 0.00 N ATOM 60 CA GLY A 7 -23.743 -0.217 1.852 1.00 0.00 C ATOM 61 C GLY A 7 -24.837 -1.233 1.592 1.00 0.00 C ATOM 62 O GLY A 7 -25.335 -1.891 2.506 1.00 0.00 O ATOM 0 H GLY A 7 -24.467 0.232 3.767 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -23.568 0.364 0.946 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.814 -0.739 2.081 1.00 0.00 H new ATOM 66 N PRO A 8 -25.231 -1.371 0.317 1.00 0.00 N ATOM 67 CA PRO A 8 -26.279 -2.312 -0.091 1.00 0.00 C ATOM 68 C PRO A 8 -25.833 -3.765 0.031 1.00 0.00 C ATOM 69 O PRO A 8 -26.592 -4.684 -0.274 1.00 0.00 O ATOM 70 CB PRO A 8 -26.529 -1.950 -1.557 1.00 0.00 C ATOM 71 CG PRO A 8 -25.253 -1.335 -2.019 1.00 0.00 C ATOM 72 CD PRO A 8 -24.683 -0.619 -0.825 1.00 0.00 C ATOM 0 HA PRO A 8 -27.165 -2.234 0.539 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -26.779 -2.833 -2.146 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -27.362 -1.254 -1.656 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -24.563 -2.096 -2.384 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -25.429 -0.643 -2.842 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -23.593 -0.634 -0.830 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -24.988 0.427 -0.801 1.00 0.00 H new ATOM 80 N ARG A 9 -24.598 -3.964 0.480 1.00 0.00 N ATOM 81 CA ARG A 9 -24.052 -5.306 0.642 1.00 0.00 C ATOM 82 C ARG A 9 -24.279 -5.818 2.061 1.00 0.00 C ATOM 83 O ARG A 9 -23.745 -5.267 3.023 1.00 0.00 O ATOM 84 CB ARG A 9 -22.557 -5.313 0.319 1.00 0.00 C ATOM 85 CG ARG A 9 -22.247 -5.014 -1.138 1.00 0.00 C ATOM 86 CD ARG A 9 -22.062 -3.523 -1.374 1.00 0.00 C ATOM 87 NE ARG A 9 -20.850 -3.015 -0.736 1.00 0.00 N ATOM 88 CZ ARG A 9 -20.390 -1.781 -0.910 1.00 0.00 C ATOM 89 NH1 ARG A 9 -21.038 -0.933 -1.697 1.00 0.00 N ATOM 90 NH2 ARG A 9 -19.280 -1.392 -0.295 1.00 0.00 N ATOM 0 H ARG A 9 -23.957 -3.214 0.738 1.00 0.00 H new ATOM 0 HA ARG A 9 -24.570 -5.968 -0.052 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -22.055 -4.577 0.947 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -22.143 -6.288 0.577 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -21.343 -5.545 -1.435 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -23.056 -5.385 -1.767 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -22.017 -3.328 -2.446 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -22.928 -2.985 -0.988 1.00 0.00 H new ATOM 0 HE ARG A 9 -20.328 -3.642 -0.123 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -21.892 -1.228 -2.171 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -20.682 0.014 -1.829 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -18.779 -2.041 0.312 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -18.928 -0.444 -0.429 1.00 0.00 H new ATOM 104 N GLU A 10 -25.076 -6.876 2.182 1.00 0.00 N ATOM 105 CA GLU A 10 -25.375 -7.460 3.485 1.00 0.00 C ATOM 106 C GLU A 10 -24.104 -7.978 4.153 1.00 0.00 C ATOM 107 O GLU A 10 -23.719 -7.538 5.236 1.00 0.00 O ATOM 108 CB GLU A 10 -26.387 -8.599 3.338 1.00 0.00 C ATOM 109 CG GLU A 10 -27.828 -8.162 3.541 1.00 0.00 C ATOM 110 CD GLU A 10 -28.766 -9.331 3.766 1.00 0.00 C ATOM 111 OE1 GLU A 10 -28.424 -10.218 4.577 1.00 0.00 O ATOM 112 OE2 GLU A 10 -29.841 -9.362 3.131 1.00 0.00 O ATOM 0 H GLU A 10 -25.525 -7.345 1.395 1.00 0.00 H new ATOM 0 HA GLU A 10 -25.805 -6.681 4.114 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -26.286 -9.038 2.346 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -26.148 -9.381 4.059 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -27.882 -7.488 4.396 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -28.159 -7.598 2.669 1.00 0.00 H new ATOM 119 N PRO A 11 -23.438 -8.937 3.493 1.00 0.00 N ATOM 120 CA PRO A 11 -22.201 -9.536 4.004 1.00 0.00 C ATOM 121 C PRO A 11 -21.029 -8.563 3.970 1.00 0.00 C ATOM 122 O PRO A 11 -21.089 -7.525 3.311 1.00 0.00 O ATOM 123 CB PRO A 11 -21.953 -10.705 3.047 1.00 0.00 C ATOM 124 CG PRO A 11 -22.639 -10.314 1.784 1.00 0.00 C ATOM 125 CD PRO A 11 -23.841 -9.509 2.197 1.00 0.00 C ATOM 0 HA PRO A 11 -22.293 -9.833 5.049 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -20.887 -10.865 2.885 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -22.358 -11.635 3.445 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -21.977 -9.728 1.146 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -22.936 -11.194 1.213 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -24.074 -8.732 1.469 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -24.730 -10.133 2.292 1.00 0.00 H new ATOM 133 N VAL A 12 -19.962 -8.903 4.687 1.00 0.00 N ATOM 134 CA VAL A 12 -18.774 -8.060 4.737 1.00 0.00 C ATOM 135 C VAL A 12 -17.593 -8.730 4.045 1.00 0.00 C ATOM 136 O VAL A 12 -17.094 -9.760 4.502 1.00 0.00 O ATOM 137 CB VAL A 12 -18.383 -7.729 6.190 1.00 0.00 C ATOM 138 CG1 VAL A 12 -19.513 -6.991 6.892 1.00 0.00 C ATOM 139 CG2 VAL A 12 -18.013 -8.997 6.944 1.00 0.00 C ATOM 0 H VAL A 12 -19.897 -9.757 5.241 1.00 0.00 H new ATOM 0 HA VAL A 12 -19.020 -7.136 4.214 1.00 0.00 H new ATOM 0 HB VAL A 12 -17.510 -7.076 6.174 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -19.219 -6.766 7.917 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -19.725 -6.062 6.363 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -20.406 -7.616 6.900 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -17.740 -8.744 7.968 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -18.865 -9.677 6.953 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -17.169 -9.480 6.452 1.00 0.00 H new ATOM 149 N VAL A 13 -17.149 -8.141 2.940 1.00 0.00 N ATOM 150 CA VAL A 13 -16.025 -8.681 2.184 1.00 0.00 C ATOM 151 C VAL A 13 -14.766 -7.850 2.404 1.00 0.00 C ATOM 152 O VAL A 13 -14.768 -6.638 2.202 1.00 0.00 O ATOM 153 CB VAL A 13 -16.336 -8.733 0.676 1.00 0.00 C ATOM 154 CG1 VAL A 13 -15.048 -8.721 -0.135 1.00 0.00 C ATOM 155 CG2 VAL A 13 -17.172 -9.960 0.347 1.00 0.00 C ATOM 0 H VAL A 13 -17.550 -7.289 2.548 1.00 0.00 H new ATOM 0 HA VAL A 13 -15.856 -9.695 2.547 1.00 0.00 H new ATOM 0 HB VAL A 13 -16.913 -7.847 0.410 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.287 -8.758 -1.198 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.491 -7.809 0.080 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.442 -9.587 0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -17.382 -9.981 -0.722 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -16.624 -10.860 0.627 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -18.110 -9.920 0.901 1.00 0.00 H new ATOM 165 N ASN A 14 -13.691 -8.513 2.819 1.00 0.00 N ATOM 166 CA ASN A 14 -12.424 -7.836 3.067 1.00 0.00 C ATOM 167 C ASN A 14 -11.254 -8.660 2.538 1.00 0.00 C ATOM 168 O ASN A 14 -11.206 -9.877 2.720 1.00 0.00 O ATOM 169 CB ASN A 14 -12.244 -7.578 4.565 1.00 0.00 C ATOM 170 CG ASN A 14 -12.591 -8.790 5.406 1.00 0.00 C ATOM 171 OD1 ASN A 14 -12.523 -9.926 4.935 1.00 0.00 O ATOM 172 ND2 ASN A 14 -12.966 -8.554 6.658 1.00 0.00 N ATOM 0 H ASN A 14 -13.673 -9.518 2.990 1.00 0.00 H new ATOM 0 HA ASN A 14 -12.441 -6.882 2.540 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -11.211 -7.288 4.759 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -12.873 -6.739 4.865 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -13.212 -9.331 7.272 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -13.008 -7.596 7.006 1.00 0.00 H new ATOM 179 N ASP A 15 -10.313 -7.989 1.884 1.00 0.00 N ATOM 180 CA ASP A 15 -9.142 -8.658 1.330 1.00 0.00 C ATOM 181 C ASP A 15 -7.863 -7.912 1.700 1.00 0.00 C ATOM 182 O ASP A 15 -6.948 -8.485 2.290 1.00 0.00 O ATOM 183 CB ASP A 15 -9.262 -8.766 -0.191 1.00 0.00 C ATOM 184 CG ASP A 15 -10.615 -9.290 -0.629 1.00 0.00 C ATOM 185 OD1 ASP A 15 -11.167 -10.166 0.069 1.00 0.00 O ATOM 186 OD2 ASP A 15 -11.122 -8.822 -1.670 1.00 0.00 O ATOM 0 H ASP A 15 -10.338 -6.982 1.724 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.092 -9.660 1.755 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.094 -7.785 -0.636 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.481 -9.426 -0.568 1.00 0.00 H new ATOM 191 N GLU A 16 -7.808 -6.631 1.348 1.00 0.00 N ATOM 192 CA GLU A 16 -6.641 -5.809 1.642 1.00 0.00 C ATOM 193 C GLU A 16 -7.036 -4.569 2.439 1.00 0.00 C ATOM 194 O GLU A 16 -7.350 -3.524 1.868 1.00 0.00 O ATOM 195 CB GLU A 16 -5.942 -5.393 0.345 1.00 0.00 C ATOM 196 CG GLU A 16 -5.159 -6.517 -0.311 1.00 0.00 C ATOM 197 CD GLU A 16 -4.660 -6.150 -1.696 1.00 0.00 C ATOM 198 OE1 GLU A 16 -5.464 -5.624 -2.494 1.00 0.00 O ATOM 199 OE2 GLU A 16 -3.469 -6.389 -1.980 1.00 0.00 O ATOM 0 H GLU A 16 -8.557 -6.141 0.859 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.953 -6.403 2.243 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.689 -5.023 -0.358 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.265 -4.565 0.556 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.309 -6.779 0.320 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.790 -7.403 -0.379 1.00 0.00 H new ATOM 206 N MET A 17 -7.018 -4.693 3.762 1.00 0.00 N ATOM 207 CA MET A 17 -7.374 -3.583 4.639 1.00 0.00 C ATOM 208 C MET A 17 -6.186 -3.169 5.500 1.00 0.00 C ATOM 209 O MET A 17 -5.329 -3.989 5.830 1.00 0.00 O ATOM 210 CB MET A 17 -8.556 -3.968 5.530 1.00 0.00 C ATOM 211 CG MET A 17 -9.691 -4.643 4.778 1.00 0.00 C ATOM 212 SD MET A 17 -10.340 -3.623 3.440 1.00 0.00 S ATOM 213 CE MET A 17 -12.013 -3.338 4.013 1.00 0.00 C ATOM 0 H MET A 17 -6.761 -5.551 4.250 1.00 0.00 H new ATOM 0 HA MET A 17 -7.660 -2.736 4.015 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.205 -4.636 6.317 1.00 0.00 H new ATOM 0 HB3 MET A 17 -8.938 -3.072 6.020 1.00 0.00 H new ATOM 0 HG2 MET A 17 -9.339 -5.590 4.370 1.00 0.00 H new ATOM 0 HG3 MET A 17 -10.496 -4.876 5.475 1.00 0.00 H new ATOM 0 HE1 MET A 17 -12.470 -2.544 3.422 1.00 0.00 H new ATOM 0 HE2 MET A 17 -12.596 -4.253 3.904 1.00 0.00 H new ATOM 0 HE3 MET A 17 -11.993 -3.044 5.062 1.00 0.00 H new ATOM 223 N CYS A 18 -6.140 -1.891 5.862 1.00 0.00 N ATOM 224 CA CYS A 18 -5.057 -1.367 6.685 1.00 0.00 C ATOM 225 C CYS A 18 -5.136 -1.920 8.104 1.00 0.00 C ATOM 226 O CYS A 18 -6.219 -2.214 8.607 1.00 0.00 O ATOM 227 CB CYS A 18 -5.107 0.162 6.717 1.00 0.00 C ATOM 228 SG CYS A 18 -3.720 0.933 7.611 1.00 0.00 S ATOM 0 H CYS A 18 -6.841 -1.199 5.598 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.112 -1.683 6.243 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.118 0.536 5.693 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.043 0.475 7.181 1.00 0.00 H new ATOM 233 N ASP A 19 -3.980 -2.056 8.745 1.00 0.00 N ATOM 234 CA ASP A 19 -3.917 -2.573 10.107 1.00 0.00 C ATOM 235 C ASP A 19 -4.254 -1.481 11.117 1.00 0.00 C ATOM 236 O ASP A 19 -4.210 -1.705 12.328 1.00 0.00 O ATOM 237 CB ASP A 19 -2.526 -3.140 10.396 1.00 0.00 C ATOM 238 CG ASP A 19 -2.326 -4.517 9.793 1.00 0.00 C ATOM 239 OD1 ASP A 19 -3.043 -5.454 10.202 1.00 0.00 O ATOM 240 OD2 ASP A 19 -1.452 -4.657 8.912 1.00 0.00 O ATOM 0 H ASP A 19 -3.074 -1.815 8.343 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.653 -3.371 10.202 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.771 -2.460 10.002 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.375 -3.193 11.474 1.00 0.00 H new ATOM 245 N VAL A 20 -4.591 -0.298 10.613 1.00 0.00 N ATOM 246 CA VAL A 20 -4.936 0.829 11.471 1.00 0.00 C ATOM 247 C VAL A 20 -6.250 1.468 11.037 1.00 0.00 C ATOM 248 O VAL A 20 -6.970 2.050 11.850 1.00 0.00 O ATOM 249 CB VAL A 20 -3.829 1.900 11.464 1.00 0.00 C ATOM 250 CG1 VAL A 20 -4.182 3.040 12.408 1.00 0.00 C ATOM 251 CG2 VAL A 20 -2.490 1.284 11.836 1.00 0.00 C ATOM 0 H VAL A 20 -4.632 -0.095 9.614 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.043 0.436 12.482 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.748 2.307 10.456 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.388 3.787 12.390 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.119 3.498 12.091 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.292 2.653 13.421 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.720 2.055 11.826 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.554 0.848 12.833 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.235 0.506 11.116 1.00 0.00 H new ATOM 261 N CYS A 21 -6.559 1.356 9.749 1.00 0.00 N ATOM 262 CA CYS A 21 -7.787 1.922 9.205 1.00 0.00 C ATOM 263 C CYS A 21 -8.757 0.820 8.789 1.00 0.00 C ATOM 264 O CYS A 21 -9.971 1.025 8.767 1.00 0.00 O ATOM 265 CB CYS A 21 -7.472 2.819 8.007 1.00 0.00 C ATOM 266 SG CYS A 21 -6.151 4.036 8.314 1.00 0.00 S ATOM 0 H CYS A 21 -5.975 0.878 9.063 1.00 0.00 H new ATOM 0 HA CYS A 21 -8.258 2.520 9.985 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.184 2.192 7.163 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.379 3.349 7.716 1.00 0.00 H new ATOM 271 N GLU A 22 -8.212 -0.346 8.460 1.00 0.00 N ATOM 272 CA GLU A 22 -9.029 -1.481 8.045 1.00 0.00 C ATOM 273 C GLU A 22 -9.926 -1.103 6.870 1.00 0.00 C ATOM 274 O GLU A 22 -11.114 -1.426 6.852 1.00 0.00 O ATOM 275 CB GLU A 22 -9.884 -1.978 9.213 1.00 0.00 C ATOM 276 CG GLU A 22 -9.072 -2.371 10.436 1.00 0.00 C ATOM 277 CD GLU A 22 -8.630 -3.823 10.401 1.00 0.00 C ATOM 278 OE1 GLU A 22 -8.507 -4.378 9.288 1.00 0.00 O ATOM 279 OE2 GLU A 22 -8.409 -4.403 11.483 1.00 0.00 O ATOM 0 H GLU A 22 -7.209 -0.530 8.473 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.360 -2.281 7.728 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.592 -1.198 9.492 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.470 -2.837 8.884 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.194 -1.729 10.506 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.666 -2.197 11.333 1.00 0.00 H new ATOM 286 N VAL A 23 -9.349 -0.416 5.888 1.00 0.00 N ATOM 287 CA VAL A 23 -10.095 0.006 4.710 1.00 0.00 C ATOM 288 C VAL A 23 -9.216 -0.026 3.463 1.00 0.00 C ATOM 289 O VAL A 23 -8.014 0.225 3.533 1.00 0.00 O ATOM 290 CB VAL A 23 -10.666 1.426 4.885 1.00 0.00 C ATOM 291 CG1 VAL A 23 -11.838 1.413 5.854 1.00 0.00 C ATOM 292 CG2 VAL A 23 -9.582 2.382 5.359 1.00 0.00 C ATOM 0 H VAL A 23 -8.367 -0.140 5.886 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.920 -0.696 4.589 1.00 0.00 H new ATOM 0 HB VAL A 23 -11.028 1.775 3.918 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -12.229 2.424 5.966 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -12.622 0.761 5.468 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.504 1.044 6.824 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -10.003 3.380 5.477 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.187 2.039 6.315 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.777 2.413 4.624 1.00 0.00 H new ATOM 302 N TRP A 24 -9.826 -0.334 2.325 1.00 0.00 N ATOM 303 CA TRP A 24 -9.099 -0.399 1.062 1.00 0.00 C ATOM 304 C TRP A 24 -9.641 0.624 0.070 1.00 0.00 C ATOM 305 O TRP A 24 -10.729 1.168 0.255 1.00 0.00 O ATOM 306 CB TRP A 24 -9.194 -1.805 0.467 1.00 0.00 C ATOM 307 CG TRP A 24 -10.370 -1.987 -0.444 1.00 0.00 C ATOM 308 CD1 TRP A 24 -11.650 -2.289 -0.077 1.00 0.00 C ATOM 309 CD2 TRP A 24 -10.373 -1.880 -1.872 1.00 0.00 C ATOM 310 NE1 TRP A 24 -12.450 -2.376 -1.193 1.00 0.00 N ATOM 311 CE2 TRP A 24 -11.690 -2.130 -2.305 1.00 0.00 C ATOM 312 CE3 TRP A 24 -9.393 -1.596 -2.826 1.00 0.00 C ATOM 313 CZ2 TRP A 24 -12.048 -2.103 -3.650 1.00 0.00 C ATOM 314 CZ3 TRP A 24 -9.750 -1.572 -4.160 1.00 0.00 C ATOM 315 CH2 TRP A 24 -11.067 -1.823 -4.563 1.00 0.00 C ATOM 0 H TRP A 24 -10.822 -0.543 2.250 1.00 0.00 H new ATOM 0 HA TRP A 24 -8.053 -0.166 1.261 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -8.279 -2.021 -0.085 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -9.256 -2.531 1.278 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -11.985 -2.438 0.939 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -13.447 -2.589 -1.192 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -8.374 -1.399 -2.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -13.064 -2.296 -3.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -8.999 -1.356 -4.906 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -11.314 -1.795 -5.614 1.00 0.00 H new ATOM 326 N THR A 25 -8.875 0.881 -0.986 1.00 0.00 N ATOM 327 CA THR A 25 -9.278 1.840 -2.007 1.00 0.00 C ATOM 328 C THR A 25 -9.026 1.292 -3.406 1.00 0.00 C ATOM 329 O THR A 25 -8.072 0.545 -3.628 1.00 0.00 O ATOM 330 CB THR A 25 -8.528 3.177 -1.849 1.00 0.00 C ATOM 331 OG1 THR A 25 -8.407 3.510 -0.462 1.00 0.00 O ATOM 332 CG2 THR A 25 -9.255 4.294 -2.582 1.00 0.00 C ATOM 0 H THR A 25 -7.972 0.438 -1.156 1.00 0.00 H new ATOM 0 HA THR A 25 -10.346 2.013 -1.874 1.00 0.00 H new ATOM 0 HB THR A 25 -7.534 3.065 -2.283 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.928 4.360 -0.370 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.707 5.228 -2.457 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.320 4.051 -3.643 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.259 4.404 -2.173 1.00 0.00 H new ATOM 340 N ALA A 26 -9.886 1.665 -4.348 1.00 0.00 N ATOM 341 CA ALA A 26 -9.755 1.212 -5.726 1.00 0.00 C ATOM 342 C ALA A 26 -8.296 1.221 -6.171 1.00 0.00 C ATOM 343 O ALA A 26 -7.753 0.190 -6.568 1.00 0.00 O ATOM 344 CB ALA A 26 -10.595 2.081 -6.650 1.00 0.00 C ATOM 0 H ALA A 26 -10.682 2.281 -4.181 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.118 0.186 -5.780 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.487 1.731 -7.677 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.642 2.020 -6.354 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.258 3.115 -6.582 1.00 0.00 H new ATOM 350 N GLU A 27 -7.667 2.390 -6.101 1.00 0.00 N ATOM 351 CA GLU A 27 -6.271 2.532 -6.498 1.00 0.00 C ATOM 352 C GLU A 27 -5.382 1.575 -5.709 1.00 0.00 C ATOM 353 O GLU A 27 -5.865 0.796 -4.887 1.00 0.00 O ATOM 354 CB GLU A 27 -5.802 3.973 -6.287 1.00 0.00 C ATOM 355 CG GLU A 27 -6.173 4.906 -7.427 1.00 0.00 C ATOM 356 CD GLU A 27 -6.088 6.369 -7.034 1.00 0.00 C ATOM 357 OE1 GLU A 27 -5.001 6.806 -6.603 1.00 0.00 O ATOM 358 OE2 GLU A 27 -7.111 7.075 -7.160 1.00 0.00 O ATOM 0 H GLU A 27 -8.102 3.252 -5.773 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.193 2.284 -7.557 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.233 4.355 -5.361 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.719 3.979 -6.161 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.511 4.722 -8.273 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.186 4.681 -7.761 1.00 0.00 H new ATOM 365 N SER A 28 -4.079 1.639 -5.966 1.00 0.00 N ATOM 366 CA SER A 28 -3.122 0.775 -5.284 1.00 0.00 C ATOM 367 C SER A 28 -3.029 1.132 -3.804 1.00 0.00 C ATOM 368 O SER A 28 -3.016 2.306 -3.435 1.00 0.00 O ATOM 369 CB SER A 28 -1.743 0.894 -5.937 1.00 0.00 C ATOM 370 OG SER A 28 -1.602 -0.031 -7.001 1.00 0.00 O ATOM 0 H SER A 28 -3.662 2.280 -6.641 1.00 0.00 H new ATOM 0 HA SER A 28 -3.470 -0.254 -5.371 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.600 1.908 -6.311 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.968 0.717 -5.192 1.00 0.00 H new ATOM 0 HG SER A 28 -0.714 0.066 -7.403 1.00 0.00 H new ATOM 376 N LEU A 29 -2.966 0.109 -2.960 1.00 0.00 N ATOM 377 CA LEU A 29 -2.874 0.311 -1.517 1.00 0.00 C ATOM 378 C LEU A 29 -1.428 0.204 -1.044 1.00 0.00 C ATOM 379 O LEU A 29 -0.669 -0.643 -1.517 1.00 0.00 O ATOM 380 CB LEU A 29 -3.740 -0.714 -0.782 1.00 0.00 C ATOM 381 CG LEU A 29 -4.426 -0.222 0.492 1.00 0.00 C ATOM 382 CD1 LEU A 29 -5.553 -1.163 0.890 1.00 0.00 C ATOM 383 CD2 LEU A 29 -3.417 -0.087 1.623 1.00 0.00 C ATOM 0 H LEU A 29 -2.977 -0.869 -3.249 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.238 1.313 -1.291 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.507 -1.071 -1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.116 -1.571 -0.527 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.854 0.761 0.294 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.029 -0.796 1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.289 -1.209 0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.149 -2.159 1.069 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.923 0.264 2.522 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.959 -1.056 1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.645 0.628 1.338 1.00 0.00 H new ATOM 395 N PHE A 30 -1.053 1.067 -0.105 1.00 0.00 N ATOM 396 CA PHE A 30 0.302 1.070 0.434 1.00 0.00 C ATOM 397 C PHE A 30 0.453 0.017 1.529 1.00 0.00 C ATOM 398 O PHE A 30 -0.510 -0.371 2.189 1.00 0.00 O ATOM 399 CB PHE A 30 0.650 2.452 0.989 1.00 0.00 C ATOM 400 CG PHE A 30 1.028 3.446 -0.073 1.00 0.00 C ATOM 401 CD1 PHE A 30 0.272 3.567 -1.227 1.00 0.00 C ATOM 402 CD2 PHE A 30 2.138 4.259 0.085 1.00 0.00 C ATOM 403 CE1 PHE A 30 0.618 4.480 -2.206 1.00 0.00 C ATOM 404 CE2 PHE A 30 2.489 5.174 -0.890 1.00 0.00 C ATOM 405 CZ PHE A 30 1.727 5.285 -2.036 1.00 0.00 C ATOM 0 H PHE A 30 -1.669 1.773 0.298 1.00 0.00 H new ATOM 0 HA PHE A 30 0.990 0.828 -0.377 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.203 2.836 1.548 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.475 2.354 1.695 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.598 2.941 -1.364 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.736 4.177 0.980 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.022 4.563 -3.103 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.358 5.801 -0.755 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.998 6.000 -2.798 1.00 0.00 H new ATOM 415 N PRO A 31 1.692 -0.456 1.727 1.00 0.00 N ATOM 416 CA PRO A 31 2.847 -0.001 0.946 1.00 0.00 C ATOM 417 C PRO A 31 2.792 -0.475 -0.502 1.00 0.00 C ATOM 418 O PRO A 31 2.939 0.319 -1.432 1.00 0.00 O ATOM 419 CB PRO A 31 4.037 -0.635 1.671 1.00 0.00 C ATOM 420 CG PRO A 31 3.472 -1.835 2.349 1.00 0.00 C ATOM 421 CD PRO A 31 2.062 -1.471 2.726 1.00 0.00 C ATOM 0 HA PRO A 31 2.896 1.086 0.887 1.00 0.00 H new ATOM 0 HB2 PRO A 31 4.826 -0.910 0.971 1.00 0.00 H new ATOM 0 HB3 PRO A 31 4.476 0.056 2.390 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.488 -2.701 1.687 1.00 0.00 H new ATOM 0 HG3 PRO A 31 4.057 -2.097 3.231 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.399 -2.335 2.685 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.007 -1.075 3.740 1.00 0.00 H new ATOM 429 N CYS A 32 2.577 -1.773 -0.687 1.00 0.00 N ATOM 430 CA CYS A 32 2.501 -2.353 -2.022 1.00 0.00 C ATOM 431 C CYS A 32 1.180 -3.090 -2.221 1.00 0.00 C ATOM 432 O CYS A 32 0.367 -3.188 -1.301 1.00 0.00 O ATOM 433 CB CYS A 32 3.672 -3.311 -2.252 1.00 0.00 C ATOM 434 SG CYS A 32 4.330 -4.061 -0.727 1.00 0.00 S ATOM 0 H CYS A 32 2.452 -2.443 0.072 1.00 0.00 H new ATOM 0 HA CYS A 32 2.556 -1.541 -2.747 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.351 -4.105 -2.926 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.475 -2.772 -2.755 1.00 0.00 H new ATOM 439 N ARG A 33 0.974 -3.609 -3.427 1.00 0.00 N ATOM 440 CA ARG A 33 -0.248 -4.337 -3.747 1.00 0.00 C ATOM 441 C ARG A 33 -0.050 -5.839 -3.567 1.00 0.00 C ATOM 442 O ARG A 33 -0.604 -6.443 -2.648 1.00 0.00 O ATOM 443 CB ARG A 33 -0.684 -4.038 -5.183 1.00 0.00 C ATOM 444 CG ARG A 33 -1.533 -5.137 -5.802 1.00 0.00 C ATOM 445 CD ARG A 33 -2.146 -4.690 -7.120 1.00 0.00 C ATOM 446 NE ARG A 33 -3.324 -3.849 -6.918 1.00 0.00 N ATOM 447 CZ ARG A 33 -4.279 -3.692 -7.828 1.00 0.00 C ATOM 448 NH1 ARG A 33 -4.197 -4.316 -8.995 1.00 0.00 N ATOM 449 NH2 ARG A 33 -5.320 -2.912 -7.570 1.00 0.00 N ATOM 0 H ARG A 33 1.638 -3.539 -4.199 1.00 0.00 H new ATOM 0 HA ARG A 33 -1.028 -4.006 -3.061 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.247 -3.105 -5.196 1.00 0.00 H new ATOM 0 HB3 ARG A 33 0.202 -3.885 -5.799 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -0.920 -6.023 -5.966 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -2.325 -5.421 -5.109 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.403 -4.140 -7.698 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.422 -5.566 -7.707 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.418 -3.356 -6.030 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.399 -4.919 -9.196 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -4.932 -4.193 -9.692 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.388 -2.432 -6.672 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -6.053 -2.792 -8.269 1.00 0.00 H new ATOM 463 N VAL A 34 0.745 -6.436 -4.449 1.00 0.00 N ATOM 464 CA VAL A 34 1.018 -7.867 -4.387 1.00 0.00 C ATOM 465 C VAL A 34 1.052 -8.357 -2.943 1.00 0.00 C ATOM 466 O VAL A 34 0.453 -9.380 -2.608 1.00 0.00 O ATOM 467 CB VAL A 34 2.355 -8.214 -5.068 1.00 0.00 C ATOM 468 CG1 VAL A 34 3.498 -7.449 -4.420 1.00 0.00 C ATOM 469 CG2 VAL A 34 2.606 -9.714 -5.014 1.00 0.00 C ATOM 0 H VAL A 34 1.212 -5.951 -5.215 1.00 0.00 H new ATOM 0 HA VAL A 34 0.209 -8.367 -4.919 1.00 0.00 H new ATOM 0 HB VAL A 34 2.299 -7.916 -6.115 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.435 -7.707 -4.914 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.320 -6.378 -4.516 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.560 -7.713 -3.364 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.555 -9.942 -5.500 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.643 -10.040 -3.974 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.800 -10.237 -5.529 1.00 0.00 H new ATOM 479 N CYS A 35 1.759 -7.622 -2.092 1.00 0.00 N ATOM 480 CA CYS A 35 1.873 -7.981 -0.683 1.00 0.00 C ATOM 481 C CYS A 35 0.507 -7.954 -0.002 1.00 0.00 C ATOM 482 O CYS A 35 -0.048 -6.886 0.260 1.00 0.00 O ATOM 483 CB CYS A 35 2.831 -7.026 0.032 1.00 0.00 C ATOM 484 SG CYS A 35 4.592 -7.440 -0.182 1.00 0.00 S ATOM 0 H CYS A 35 2.262 -6.774 -2.353 1.00 0.00 H new ATOM 0 HA CYS A 35 2.269 -8.995 -0.623 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.660 -6.014 -0.335 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.596 -7.023 1.096 1.00 0.00 H new ATOM 489 N THR A 36 -0.030 -9.137 0.282 1.00 0.00 N ATOM 490 CA THR A 36 -1.330 -9.249 0.931 1.00 0.00 C ATOM 491 C THR A 36 -1.483 -8.214 2.039 1.00 0.00 C ATOM 492 O THR A 36 -2.323 -7.319 1.953 1.00 0.00 O ATOM 493 CB THR A 36 -1.541 -10.655 1.524 1.00 0.00 C ATOM 494 OG1 THR A 36 -1.396 -11.645 0.501 1.00 0.00 O ATOM 495 CG2 THR A 36 -2.919 -10.772 2.159 1.00 0.00 C ATOM 0 H THR A 36 0.416 -10.030 0.073 1.00 0.00 H new ATOM 0 HA THR A 36 -2.083 -9.069 0.164 1.00 0.00 H new ATOM 0 HB THR A 36 -0.788 -10.818 2.295 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.530 -12.536 0.887 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.046 -11.773 2.571 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.015 -10.036 2.957 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.684 -10.591 1.404 1.00 0.00 H new ATOM 503 N ARG A 37 -0.665 -8.340 3.078 1.00 0.00 N ATOM 504 CA ARG A 37 -0.710 -7.415 4.204 1.00 0.00 C ATOM 505 C ARG A 37 -0.544 -5.974 3.731 1.00 0.00 C ATOM 506 O ARG A 37 0.541 -5.567 3.316 1.00 0.00 O ATOM 507 CB ARG A 37 0.383 -7.759 5.219 1.00 0.00 C ATOM 508 CG ARG A 37 0.037 -7.360 6.644 1.00 0.00 C ATOM 509 CD ARG A 37 1.237 -7.502 7.568 1.00 0.00 C ATOM 510 NE ARG A 37 0.917 -7.124 8.941 1.00 0.00 N ATOM 511 CZ ARG A 37 0.242 -7.902 9.780 1.00 0.00 C ATOM 512 NH1 ARG A 37 -0.181 -9.095 9.387 1.00 0.00 N ATOM 513 NH2 ARG A 37 -0.009 -7.488 11.015 1.00 0.00 N ATOM 0 H ARG A 37 0.038 -9.074 3.164 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.684 -7.512 4.683 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.572 -8.832 5.187 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.308 -7.263 4.926 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.315 -6.329 6.659 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.781 -7.982 7.009 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.590 -8.533 7.549 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.053 -6.879 7.201 1.00 0.00 H new ATOM 0 HE ARG A 37 1.229 -6.212 9.275 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.012 -9.417 8.439 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.699 -9.691 10.033 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.316 -6.571 11.322 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.527 -8.086 11.658 1.00 0.00 H new ATOM 527 N VAL A 38 -1.628 -5.208 3.795 1.00 0.00 N ATOM 528 CA VAL A 38 -1.603 -3.812 3.373 1.00 0.00 C ATOM 529 C VAL A 38 -1.716 -2.874 4.570 1.00 0.00 C ATOM 530 O VAL A 38 -2.592 -3.037 5.420 1.00 0.00 O ATOM 531 CB VAL A 38 -2.743 -3.504 2.385 1.00 0.00 C ATOM 532 CG1 VAL A 38 -2.842 -4.593 1.327 1.00 0.00 C ATOM 533 CG2 VAL A 38 -4.063 -3.348 3.126 1.00 0.00 C ATOM 0 H VAL A 38 -2.534 -5.530 4.135 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.647 -3.649 2.876 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.521 -2.562 1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.653 -4.358 0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.903 -4.652 0.776 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.041 -5.551 1.808 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.858 -3.131 2.412 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.294 -4.272 3.656 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.984 -2.529 3.841 1.00 0.00 H new ATOM 543 N PHE A 39 -0.824 -1.891 4.631 1.00 0.00 N ATOM 544 CA PHE A 39 -0.822 -0.927 5.724 1.00 0.00 C ATOM 545 C PHE A 39 -0.282 0.423 5.258 1.00 0.00 C ATOM 546 O PHE A 39 0.812 0.507 4.702 1.00 0.00 O ATOM 547 CB PHE A 39 0.017 -1.448 6.892 1.00 0.00 C ATOM 548 CG PHE A 39 1.173 -2.306 6.463 1.00 0.00 C ATOM 549 CD1 PHE A 39 1.008 -3.668 6.271 1.00 0.00 C ATOM 550 CD2 PHE A 39 2.425 -1.750 6.253 1.00 0.00 C ATOM 551 CE1 PHE A 39 2.070 -4.460 5.875 1.00 0.00 C ATOM 552 CE2 PHE A 39 3.490 -2.537 5.857 1.00 0.00 C ATOM 553 CZ PHE A 39 3.313 -3.894 5.669 1.00 0.00 C ATOM 0 H PHE A 39 -0.093 -1.741 3.936 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.851 -0.792 6.057 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.396 -0.601 7.463 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.623 -2.023 7.561 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.039 -4.116 6.432 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.570 -0.690 6.400 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.928 -5.520 5.727 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.460 -2.091 5.695 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.144 -4.511 5.362 1.00 0.00 H new ATOM 563 N HIS A 40 -1.060 1.476 5.490 1.00 0.00 N ATOM 564 CA HIS A 40 -0.660 2.822 5.094 1.00 0.00 C ATOM 565 C HIS A 40 0.617 3.243 5.813 1.00 0.00 C ATOM 566 O HIS A 40 0.589 3.608 6.988 1.00 0.00 O ATOM 567 CB HIS A 40 -1.780 3.818 5.396 1.00 0.00 C ATOM 568 CG HIS A 40 -3.137 3.339 4.980 1.00 0.00 C ATOM 569 ND1 HIS A 40 -4.294 4.049 5.222 1.00 0.00 N ATOM 570 CD2 HIS A 40 -3.518 2.213 4.330 1.00 0.00 C ATOM 571 CE1 HIS A 40 -5.327 3.380 4.742 1.00 0.00 C ATOM 572 NE2 HIS A 40 -4.883 2.263 4.197 1.00 0.00 N ATOM 0 H HIS A 40 -1.969 1.423 5.949 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.467 2.816 4.021 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -1.790 4.027 6.466 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -1.565 4.759 4.889 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -2.869 1.423 3.982 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -6.359 3.694 4.788 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -5.461 1.552 3.749 1.00 0.00 H new ATOM 580 N ASP A 41 1.737 3.189 5.099 1.00 0.00 N ATOM 581 CA ASP A 41 3.026 3.565 5.669 1.00 0.00 C ATOM 582 C ASP A 41 2.859 4.663 6.714 1.00 0.00 C ATOM 583 O ASP A 41 3.494 4.634 7.767 1.00 0.00 O ATOM 584 CB ASP A 41 3.977 4.033 4.567 1.00 0.00 C ATOM 585 CG ASP A 41 3.386 5.146 3.725 1.00 0.00 C ATOM 586 OD1 ASP A 41 2.240 4.989 3.253 1.00 0.00 O ATOM 587 OD2 ASP A 41 4.068 6.174 3.539 1.00 0.00 O ATOM 0 H ASP A 41 1.778 2.889 4.125 1.00 0.00 H new ATOM 0 HA ASP A 41 3.450 2.687 6.156 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.908 4.377 5.017 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.227 3.189 3.924 1.00 0.00 H new ATOM 592 N GLY A 42 1.999 5.633 6.414 1.00 0.00 N ATOM 593 CA GLY A 42 1.764 6.728 7.336 1.00 0.00 C ATOM 594 C GLY A 42 1.246 6.254 8.680 1.00 0.00 C ATOM 595 O GLY A 42 1.873 6.485 9.713 1.00 0.00 O ATOM 0 H GLY A 42 1.461 5.679 5.548 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.692 7.281 7.482 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.046 7.421 6.897 1.00 0.00 H new ATOM 599 N CYS A 43 0.095 5.589 8.666 1.00 0.00 N ATOM 600 CA CYS A 43 -0.510 5.082 9.892 1.00 0.00 C ATOM 601 C CYS A 43 0.547 4.475 10.810 1.00 0.00 C ATOM 602 O CYS A 43 0.477 4.615 12.032 1.00 0.00 O ATOM 603 CB CYS A 43 -1.578 4.036 9.564 1.00 0.00 C ATOM 604 SG CYS A 43 -3.056 4.715 8.744 1.00 0.00 S ATOM 0 H CYS A 43 -0.437 5.389 7.819 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.978 5.919 10.410 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -1.138 3.272 8.923 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -1.882 3.541 10.486 1.00 0.00 H new ATOM 609 N LEU A 44 1.525 3.803 10.213 1.00 0.00 N ATOM 610 CA LEU A 44 2.598 3.175 10.977 1.00 0.00 C ATOM 611 C LEU A 44 3.338 4.204 11.826 1.00 0.00 C ATOM 612 O LEU A 44 3.498 4.027 13.034 1.00 0.00 O ATOM 613 CB LEU A 44 3.579 2.476 10.034 1.00 0.00 C ATOM 614 CG LEU A 44 2.998 1.352 9.174 1.00 0.00 C ATOM 615 CD1 LEU A 44 3.978 0.957 8.080 1.00 0.00 C ATOM 616 CD2 LEU A 44 2.645 0.150 10.036 1.00 0.00 C ATOM 0 H LEU A 44 1.597 3.679 9.203 1.00 0.00 H new ATOM 0 HA LEU A 44 2.152 2.436 11.643 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.013 3.226 9.372 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.395 2.066 10.629 1.00 0.00 H new ATOM 0 HG LEU A 44 2.085 1.716 8.702 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.548 0.156 7.478 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.181 1.819 7.445 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.908 0.612 8.532 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.233 -0.640 9.408 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.542 -0.215 10.536 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.906 0.442 10.783 1.00 0.00 H new ATOM 628 N ARG A 45 3.782 5.281 11.187 1.00 0.00 N ATOM 629 CA ARG A 45 4.503 6.339 11.883 1.00 0.00 C ATOM 630 C ARG A 45 3.557 7.158 12.757 1.00 0.00 C ATOM 631 O ARG A 45 3.946 7.657 13.812 1.00 0.00 O ATOM 632 CB ARG A 45 5.207 7.254 10.879 1.00 0.00 C ATOM 633 CG ARG A 45 4.341 8.405 10.393 1.00 0.00 C ATOM 634 CD ARG A 45 5.028 9.190 9.288 1.00 0.00 C ATOM 635 NE ARG A 45 5.165 8.407 8.063 1.00 0.00 N ATOM 636 CZ ARG A 45 5.429 8.941 6.875 1.00 0.00 C ATOM 637 NH1 ARG A 45 5.584 10.252 6.752 1.00 0.00 N ATOM 638 NH2 ARG A 45 5.538 8.162 5.806 1.00 0.00 N ATOM 0 H ARG A 45 3.655 5.444 10.188 1.00 0.00 H new ATOM 0 HA ARG A 45 5.251 5.872 12.524 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.109 7.658 11.339 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.524 6.662 10.021 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.390 8.017 10.028 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.116 9.070 11.227 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.458 10.095 9.078 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.014 9.507 9.628 1.00 0.00 H new ATOM 0 HE ARG A 45 5.052 7.395 8.122 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.501 10.854 7.571 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.787 10.658 5.839 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.419 7.153 5.896 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.741 8.572 4.894 1.00 0.00 H new ATOM 652 N ARG A 46 2.312 7.291 12.309 1.00 0.00 N ATOM 653 CA ARG A 46 1.312 8.051 13.048 1.00 0.00 C ATOM 654 C ARG A 46 1.004 7.385 14.386 1.00 0.00 C ATOM 655 O ARG A 46 1.145 7.999 15.443 1.00 0.00 O ATOM 656 CB ARG A 46 0.029 8.181 12.224 1.00 0.00 C ATOM 657 CG ARG A 46 -0.903 9.275 12.718 1.00 0.00 C ATOM 658 CD ARG A 46 -1.795 8.780 13.845 1.00 0.00 C ATOM 659 NE ARG A 46 -2.392 9.881 14.596 1.00 0.00 N ATOM 660 CZ ARG A 46 -2.904 9.749 15.814 1.00 0.00 C ATOM 661 NH1 ARG A 46 -2.892 8.568 16.416 1.00 0.00 N ATOM 662 NH2 ARG A 46 -3.430 10.798 16.433 1.00 0.00 N ATOM 0 H ARG A 46 1.973 6.882 11.438 1.00 0.00 H new ATOM 0 HA ARG A 46 1.715 9.045 13.240 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.293 8.381 11.186 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.501 7.229 12.240 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.316 10.126 13.064 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.521 9.629 11.892 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.585 8.152 13.433 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.211 8.155 14.521 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.417 10.803 14.161 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.489 7.759 15.944 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.286 8.468 17.352 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.442 11.708 15.973 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.823 10.694 17.369 1.00 0.00 H new ATOM 676 N MET A 47 0.582 6.126 14.332 1.00 0.00 N ATOM 677 CA MET A 47 0.254 5.377 15.540 1.00 0.00 C ATOM 678 C MET A 47 1.507 5.103 16.366 1.00 0.00 C ATOM 679 O MET A 47 1.559 5.415 17.554 1.00 0.00 O ATOM 680 CB MET A 47 -0.431 4.058 15.178 1.00 0.00 C ATOM 681 CG MET A 47 -0.140 2.933 16.159 1.00 0.00 C ATOM 682 SD MET A 47 -0.986 3.151 17.736 1.00 0.00 S ATOM 683 CE MET A 47 -2.522 2.285 17.419 1.00 0.00 C ATOM 0 H MET A 47 0.459 5.603 13.465 1.00 0.00 H new ATOM 0 HA MET A 47 -0.429 5.980 16.138 1.00 0.00 H new ATOM 0 HB2 MET A 47 -1.508 4.218 15.131 1.00 0.00 H new ATOM 0 HB3 MET A 47 -0.110 3.753 14.182 1.00 0.00 H new ATOM 0 HG2 MET A 47 -0.442 1.984 15.717 1.00 0.00 H new ATOM 0 HG3 MET A 47 0.935 2.876 16.332 1.00 0.00 H new ATOM 0 HE1 MET A 47 -3.155 2.331 18.305 1.00 0.00 H new ATOM 0 HE2 MET A 47 -3.037 2.753 16.580 1.00 0.00 H new ATOM 0 HE3 MET A 47 -2.309 1.243 17.179 1.00 0.00 H new ATOM 693 N GLY A 48 2.516 4.517 15.727 1.00 0.00 N ATOM 694 CA GLY A 48 3.754 4.211 16.419 1.00 0.00 C ATOM 695 C GLY A 48 4.247 2.807 16.131 1.00 0.00 C ATOM 696 O GLY A 48 4.257 1.952 17.017 1.00 0.00 O ATOM 0 H GLY A 48 2.497 4.249 14.743 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.519 4.929 16.124 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.605 4.327 17.492 1.00 0.00 H new ATOM 700 N TYR A 49 4.654 2.567 14.889 1.00 0.00 N ATOM 701 CA TYR A 49 5.146 1.255 14.486 1.00 0.00 C ATOM 702 C TYR A 49 6.561 1.353 13.928 1.00 0.00 C ATOM 703 O TYR A 49 7.412 0.507 14.211 1.00 0.00 O ATOM 704 CB TYR A 49 4.215 0.637 13.441 1.00 0.00 C ATOM 705 CG TYR A 49 3.098 -0.189 14.038 1.00 0.00 C ATOM 706 CD1 TYR A 49 1.880 0.390 14.370 1.00 0.00 C ATOM 707 CD2 TYR A 49 3.260 -1.550 14.269 1.00 0.00 C ATOM 708 CE1 TYR A 49 0.857 -0.360 14.917 1.00 0.00 C ATOM 709 CE2 TYR A 49 2.243 -2.308 14.814 1.00 0.00 C ATOM 710 CZ TYR A 49 1.043 -1.710 15.136 1.00 0.00 C ATOM 711 OH TYR A 49 0.025 -2.462 15.678 1.00 0.00 O ATOM 0 H TYR A 49 4.653 3.264 14.144 1.00 0.00 H new ATOM 0 HA TYR A 49 5.166 0.615 15.368 1.00 0.00 H new ATOM 0 HB2 TYR A 49 3.783 1.434 12.835 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.801 0.009 12.770 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.730 1.446 14.197 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.198 -2.023 14.018 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.083 0.107 15.172 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.387 -3.364 14.987 1.00 0.00 H new ATOM 0 HH TYR A 49 0.317 -3.393 15.766 1.00 0.00 H new ATOM 721 N ILE A 50 6.808 2.389 13.134 1.00 0.00 N ATOM 722 CA ILE A 50 8.121 2.598 12.537 1.00 0.00 C ATOM 723 C ILE A 50 9.117 3.115 13.568 1.00 0.00 C ATOM 724 O ILE A 50 10.066 2.419 13.931 1.00 0.00 O ATOM 725 CB ILE A 50 8.052 3.593 11.363 1.00 0.00 C ATOM 726 CG1 ILE A 50 7.169 3.036 10.244 1.00 0.00 C ATOM 727 CG2 ILE A 50 9.451 3.893 10.841 1.00 0.00 C ATOM 728 CD1 ILE A 50 6.507 4.108 9.408 1.00 0.00 C ATOM 0 H ILE A 50 6.116 3.097 12.889 1.00 0.00 H new ATOM 0 HA ILE A 50 8.457 1.630 12.164 1.00 0.00 H new ATOM 0 HB ILE A 50 7.610 4.523 11.720 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.774 2.403 9.595 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.399 2.401 10.682 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.387 4.597 10.012 1.00 0.00 H new ATOM 0 HG22 ILE A 50 10.052 4.327 11.640 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.917 2.969 10.497 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.897 3.641 8.635 1.00 0.00 H new ATOM 0 HD12 ILE A 50 5.875 4.727 10.044 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.271 4.729 8.941 1.00 0.00 H new ATOM 740 N GLN A 51 8.894 4.338 14.039 1.00 0.00 N ATOM 741 CA GLN A 51 9.773 4.947 15.031 1.00 0.00 C ATOM 742 C GLN A 51 9.200 6.270 15.527 1.00 0.00 C ATOM 743 O GLN A 51 8.492 6.964 14.798 1.00 0.00 O ATOM 744 CB GLN A 51 11.166 5.171 14.440 1.00 0.00 C ATOM 745 CG GLN A 51 12.051 6.066 15.291 1.00 0.00 C ATOM 746 CD GLN A 51 13.440 6.236 14.710 1.00 0.00 C ATOM 747 OE1 GLN A 51 13.816 7.326 14.277 1.00 0.00 O ATOM 748 NE2 GLN A 51 14.213 5.156 14.697 1.00 0.00 N ATOM 0 H GLN A 51 8.113 4.926 13.750 1.00 0.00 H new ATOM 0 HA GLN A 51 9.850 4.265 15.878 1.00 0.00 H new ATOM 0 HB2 GLN A 51 11.656 4.206 14.311 1.00 0.00 H new ATOM 0 HB3 GLN A 51 11.064 5.612 13.448 1.00 0.00 H new ATOM 0 HG2 GLN A 51 11.581 7.044 15.392 1.00 0.00 H new ATOM 0 HG3 GLN A 51 12.130 5.645 16.293 1.00 0.00 H new ATOM 0 HE21 GLN A 51 13.861 4.273 15.066 1.00 0.00 H new ATOM 0 HE22 GLN A 51 15.158 5.210 14.318 1.00 0.00 H new ATOM 757 N GLY A 52 9.508 6.612 16.775 1.00 0.00 N ATOM 758 CA GLY A 52 9.014 7.851 17.347 1.00 0.00 C ATOM 759 C GLY A 52 8.894 8.958 16.320 1.00 0.00 C ATOM 760 O GLY A 52 9.883 9.609 15.981 1.00 0.00 O ATOM 0 H GLY A 52 10.090 6.054 17.399 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.039 7.674 17.801 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.684 8.171 18.145 1.00 0.00 H new ATOM 764 N ASP A 53 7.682 9.172 15.821 1.00 0.00 N ATOM 765 CA ASP A 53 7.437 10.208 14.824 1.00 0.00 C ATOM 766 C ASP A 53 7.289 11.573 15.486 1.00 0.00 C ATOM 767 O ASP A 53 6.435 12.373 15.100 1.00 0.00 O ATOM 768 CB ASP A 53 6.182 9.880 14.015 1.00 0.00 C ATOM 769 CG ASP A 53 4.935 9.826 14.877 1.00 0.00 C ATOM 770 OD1 ASP A 53 4.865 8.951 15.764 1.00 0.00 O ATOM 771 OD2 ASP A 53 4.029 10.659 14.662 1.00 0.00 O ATOM 0 H ASP A 53 6.853 8.642 16.090 1.00 0.00 H new ATOM 0 HA ASP A 53 8.294 10.242 14.151 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.049 10.630 13.236 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.316 8.921 13.515 1.00 0.00 H new ATOM 776 N SER A 54 8.125 11.836 16.486 1.00 0.00 N ATOM 777 CA SER A 54 8.082 13.103 17.205 1.00 0.00 C ATOM 778 C SER A 54 9.292 13.965 16.858 1.00 0.00 C ATOM 779 O SER A 54 9.175 15.178 16.680 1.00 0.00 O ATOM 780 CB SER A 54 8.036 12.856 18.715 1.00 0.00 C ATOM 781 OG SER A 54 6.761 12.381 19.114 1.00 0.00 O ATOM 0 H SER A 54 8.840 11.188 16.816 1.00 0.00 H new ATOM 0 HA SER A 54 7.179 13.633 16.902 1.00 0.00 H new ATOM 0 HB2 SER A 54 8.801 12.131 18.992 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.266 13.780 19.245 1.00 0.00 H new ATOM 0 HG SER A 54 6.757 12.229 20.082 1.00 0.00 H new ATOM 787 N ALA A 55 10.456 13.329 16.762 1.00 0.00 N ATOM 788 CA ALA A 55 11.688 14.036 16.434 1.00 0.00 C ATOM 789 C ALA A 55 12.315 13.483 15.159 1.00 0.00 C ATOM 790 O ALA A 55 13.411 13.886 14.770 1.00 0.00 O ATOM 791 CB ALA A 55 12.672 13.948 17.591 1.00 0.00 C ATOM 0 H ALA A 55 10.571 12.326 16.907 1.00 0.00 H new ATOM 0 HA ALA A 55 11.442 15.084 16.261 1.00 0.00 H new ATOM 0 HB1 ALA A 55 13.587 14.480 17.332 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.230 14.398 18.480 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.905 12.902 17.792 1.00 0.00 H new ATOM 797 N ALA A 56 11.614 12.556 14.513 1.00 0.00 N ATOM 798 CA ALA A 56 12.102 11.949 13.281 1.00 0.00 C ATOM 799 C ALA A 56 11.155 12.227 12.120 1.00 0.00 C ATOM 800 O ALA A 56 9.940 12.073 12.248 1.00 0.00 O ATOM 801 CB ALA A 56 12.285 10.450 13.469 1.00 0.00 C ATOM 0 H ALA A 56 10.706 12.209 14.823 1.00 0.00 H new ATOM 0 HA ALA A 56 13.067 12.395 13.042 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.650 10.009 12.541 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.007 10.269 14.266 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.330 9.997 13.735 1.00 0.00 H new ATOM 807 N GLU A 57 11.718 12.636 10.988 1.00 0.00 N ATOM 808 CA GLU A 57 10.922 12.936 9.804 1.00 0.00 C ATOM 809 C GLU A 57 11.296 12.013 8.647 1.00 0.00 C ATOM 810 O GLU A 57 12.307 12.219 7.976 1.00 0.00 O ATOM 811 CB GLU A 57 11.115 14.396 9.389 1.00 0.00 C ATOM 812 CG GLU A 57 10.778 15.391 10.485 1.00 0.00 C ATOM 813 CD GLU A 57 11.528 16.701 10.336 1.00 0.00 C ATOM 814 OE1 GLU A 57 11.074 17.558 9.551 1.00 0.00 O ATOM 815 OE2 GLU A 57 12.568 16.867 11.007 1.00 0.00 O ATOM 0 H GLU A 57 12.722 12.767 10.866 1.00 0.00 H new ATOM 0 HA GLU A 57 9.873 12.772 10.052 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.150 14.544 9.082 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.492 14.603 8.519 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.706 15.587 10.475 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.012 14.951 11.454 1.00 0.00 H new ATOM 822 N VAL A 58 10.473 10.994 8.422 1.00 0.00 N ATOM 823 CA VAL A 58 10.717 10.038 7.348 1.00 0.00 C ATOM 824 C VAL A 58 9.689 10.193 6.232 1.00 0.00 C ATOM 825 O VAL A 58 8.501 10.389 6.488 1.00 0.00 O ATOM 826 CB VAL A 58 10.681 8.589 7.867 1.00 0.00 C ATOM 827 CG1 VAL A 58 10.887 7.606 6.724 1.00 0.00 C ATOM 828 CG2 VAL A 58 11.729 8.385 8.951 1.00 0.00 C ATOM 0 H VAL A 58 9.632 10.809 8.969 1.00 0.00 H new ATOM 0 HA VAL A 58 11.711 10.250 6.955 1.00 0.00 H new ATOM 0 HB VAL A 58 9.699 8.402 8.302 1.00 0.00 H new ATOM 0 HG11 VAL A 58 10.858 6.587 7.111 1.00 0.00 H new ATOM 0 HG12 VAL A 58 10.096 7.736 5.985 1.00 0.00 H new ATOM 0 HG13 VAL A 58 11.854 7.789 6.256 1.00 0.00 H new ATOM 0 HG21 VAL A 58 11.689 7.355 9.306 1.00 0.00 H new ATOM 0 HG22 VAL A 58 12.719 8.590 8.543 1.00 0.00 H new ATOM 0 HG23 VAL A 58 11.531 9.063 9.781 1.00 0.00 H new ATOM 838 N THR A 59 10.155 10.102 4.990 1.00 0.00 N ATOM 839 CA THR A 59 9.277 10.233 3.833 1.00 0.00 C ATOM 840 C THR A 59 9.317 8.978 2.969 1.00 0.00 C ATOM 841 O THR A 59 10.352 8.639 2.397 1.00 0.00 O ATOM 842 CB THR A 59 9.662 11.449 2.970 1.00 0.00 C ATOM 843 OG1 THR A 59 9.715 12.628 3.781 1.00 0.00 O ATOM 844 CG2 THR A 59 8.663 11.649 1.841 1.00 0.00 C ATOM 0 H THR A 59 11.135 9.938 4.760 1.00 0.00 H new ATOM 0 HA THR A 59 8.267 10.375 4.217 1.00 0.00 H new ATOM 0 HB THR A 59 10.644 11.262 2.536 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.962 13.396 3.225 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.956 12.514 1.245 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.646 10.761 1.209 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.670 11.816 2.259 1.00 0.00 H new ATOM 852 N GLU A 60 8.182 8.291 2.877 1.00 0.00 N ATOM 853 CA GLU A 60 8.089 7.072 2.083 1.00 0.00 C ATOM 854 C GLU A 60 7.465 7.359 0.720 1.00 0.00 C ATOM 855 O GLU A 60 6.261 7.594 0.613 1.00 0.00 O ATOM 856 CB GLU A 60 7.264 6.017 2.821 1.00 0.00 C ATOM 857 CG GLU A 60 8.076 5.184 3.799 1.00 0.00 C ATOM 858 CD GLU A 60 8.830 4.057 3.121 1.00 0.00 C ATOM 859 OE1 GLU A 60 8.263 2.952 2.998 1.00 0.00 O ATOM 860 OE2 GLU A 60 9.989 4.282 2.711 1.00 0.00 O ATOM 0 H GLU A 60 7.315 8.558 3.343 1.00 0.00 H new ATOM 0 HA GLU A 60 9.098 6.690 1.930 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.457 6.512 3.361 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.800 5.354 2.090 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.785 5.829 4.318 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.411 4.767 4.555 1.00 0.00 H new ATOM 867 N MET A 61 8.293 7.339 -0.319 1.00 0.00 N ATOM 868 CA MET A 61 7.823 7.595 -1.676 1.00 0.00 C ATOM 869 C MET A 61 7.535 6.289 -2.409 1.00 0.00 C ATOM 870 O MET A 61 8.362 5.803 -3.180 1.00 0.00 O ATOM 871 CB MET A 61 8.858 8.411 -2.451 1.00 0.00 C ATOM 872 CG MET A 61 9.106 9.793 -1.867 1.00 0.00 C ATOM 873 SD MET A 61 10.577 10.583 -2.549 1.00 0.00 S ATOM 874 CE MET A 61 10.004 11.001 -4.194 1.00 0.00 C ATOM 0 H MET A 61 9.292 7.148 -0.248 1.00 0.00 H new ATOM 0 HA MET A 61 6.896 8.165 -1.611 1.00 0.00 H new ATOM 0 HB2 MET A 61 9.799 7.861 -2.473 1.00 0.00 H new ATOM 0 HB3 MET A 61 8.526 8.517 -3.484 1.00 0.00 H new ATOM 0 HG2 MET A 61 8.238 10.424 -2.057 1.00 0.00 H new ATOM 0 HG3 MET A 61 9.210 9.712 -0.785 1.00 0.00 H new ATOM 0 HE1 MET A 61 10.608 10.476 -4.934 1.00 0.00 H new ATOM 0 HE2 MET A 61 8.960 10.706 -4.302 1.00 0.00 H new ATOM 0 HE3 MET A 61 10.095 12.076 -4.349 1.00 0.00 H new ATOM 884 N ALA A 62 6.358 5.723 -2.162 1.00 0.00 N ATOM 885 CA ALA A 62 5.962 4.474 -2.798 1.00 0.00 C ATOM 886 C ALA A 62 5.264 4.734 -4.130 1.00 0.00 C ATOM 887 O ALA A 62 5.513 4.041 -5.118 1.00 0.00 O ATOM 888 CB ALA A 62 5.056 3.673 -1.875 1.00 0.00 C ATOM 0 H ALA A 62 5.662 6.111 -1.525 1.00 0.00 H new ATOM 0 HA ALA A 62 6.864 3.895 -2.995 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.769 2.743 -2.365 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.587 3.447 -0.950 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.162 4.254 -1.648 1.00 0.00 H new ATOM 894 N HIS A 63 4.391 5.735 -4.150 1.00 0.00 N ATOM 895 CA HIS A 63 3.658 6.086 -5.360 1.00 0.00 C ATOM 896 C HIS A 63 4.593 6.145 -6.565 1.00 0.00 C ATOM 897 O HIS A 63 4.423 5.403 -7.533 1.00 0.00 O ATOM 898 CB HIS A 63 2.952 7.430 -5.182 1.00 0.00 C ATOM 899 CG HIS A 63 2.174 7.863 -6.388 1.00 0.00 C ATOM 900 ND1 HIS A 63 2.733 7.975 -7.644 1.00 0.00 N ATOM 901 CD2 HIS A 63 0.872 8.208 -6.525 1.00 0.00 C ATOM 902 CE1 HIS A 63 1.809 8.373 -8.500 1.00 0.00 C ATOM 903 NE2 HIS A 63 0.671 8.522 -7.846 1.00 0.00 N ATOM 0 H HIS A 63 4.174 6.318 -3.342 1.00 0.00 H new ATOM 0 HA HIS A 63 2.911 5.312 -5.539 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.277 7.366 -4.328 1.00 0.00 H new ATOM 0 HB3 HIS A 63 3.694 8.192 -4.946 1.00 0.00 H new ATOM 0 HD2 HIS A 63 0.130 8.232 -5.741 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.959 8.547 -9.555 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -0.214 8.822 -8.256 1.00 0.00 H new ATOM 911 N THR A 64 5.581 7.032 -6.498 1.00 0.00 N ATOM 912 CA THR A 64 6.542 7.190 -7.582 1.00 0.00 C ATOM 913 C THR A 64 6.822 5.856 -8.266 1.00 0.00 C ATOM 914 O THR A 64 7.204 4.884 -7.616 1.00 0.00 O ATOM 915 CB THR A 64 7.870 7.782 -7.075 1.00 0.00 C ATOM 916 OG1 THR A 64 8.336 7.041 -5.943 1.00 0.00 O ATOM 917 CG2 THR A 64 7.698 9.245 -6.694 1.00 0.00 C ATOM 0 H THR A 64 5.736 7.652 -5.703 1.00 0.00 H new ATOM 0 HA THR A 64 6.097 7.879 -8.300 1.00 0.00 H new ATOM 0 HB THR A 64 8.603 7.715 -7.879 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.098 6.096 -6.050 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.649 9.643 -6.339 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.371 9.812 -7.566 1.00 0.00 H new ATOM 0 HG23 THR A 64 6.951 9.330 -5.904 1.00 0.00 H new ATOM 925 N GLU A 65 6.631 5.819 -9.581 1.00 0.00 N ATOM 926 CA GLU A 65 6.864 4.603 -10.352 1.00 0.00 C ATOM 927 C GLU A 65 8.098 3.864 -9.843 1.00 0.00 C ATOM 928 O GLU A 65 9.082 4.482 -9.433 1.00 0.00 O ATOM 929 CB GLU A 65 7.031 4.938 -11.835 1.00 0.00 C ATOM 930 CG GLU A 65 5.750 5.410 -12.501 1.00 0.00 C ATOM 931 CD GLU A 65 5.726 5.124 -13.990 1.00 0.00 C ATOM 932 OE1 GLU A 65 5.680 3.935 -14.366 1.00 0.00 O ATOM 933 OE2 GLU A 65 5.753 6.092 -14.779 1.00 0.00 O ATOM 0 H GLU A 65 6.316 6.616 -10.134 1.00 0.00 H new ATOM 0 HA GLU A 65 5.997 3.953 -10.229 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.792 5.712 -11.940 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.399 4.056 -12.359 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.898 4.922 -12.028 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.634 6.482 -12.339 1.00 0.00 H new ATOM 940 N THR A 66 8.041 2.536 -9.873 1.00 0.00 N ATOM 941 CA THR A 66 9.153 1.712 -9.414 1.00 0.00 C ATOM 942 C THR A 66 9.875 2.368 -8.243 1.00 0.00 C ATOM 943 O THR A 66 11.099 2.301 -8.140 1.00 0.00 O ATOM 944 CB THR A 66 10.164 1.453 -10.546 1.00 0.00 C ATOM 945 OG1 THR A 66 10.768 2.685 -10.956 1.00 0.00 O ATOM 946 CG2 THR A 66 9.486 0.794 -11.737 1.00 0.00 C ATOM 0 H THR A 66 7.236 2.008 -10.210 1.00 0.00 H new ATOM 0 HA THR A 66 8.730 0.761 -9.090 1.00 0.00 H new ATOM 0 HB THR A 66 10.934 0.780 -10.168 1.00 0.00 H new ATOM 0 HG1 THR A 66 11.411 2.511 -11.675 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.220 0.621 -12.524 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.053 -0.158 -11.429 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.698 1.446 -12.113 1.00 0.00 H new ATOM 954 N GLY A 67 9.108 2.999 -7.359 1.00 0.00 N ATOM 955 CA GLY A 67 9.694 3.657 -6.205 1.00 0.00 C ATOM 956 C GLY A 67 10.445 2.693 -5.308 1.00 0.00 C ATOM 957 O GLY A 67 11.355 1.998 -5.758 1.00 0.00 O ATOM 0 H GLY A 67 8.092 3.066 -7.421 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.374 4.439 -6.543 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.907 4.145 -5.630 1.00 0.00 H new ATOM 961 N TRP A 68 10.065 2.655 -4.037 1.00 0.00 N ATOM 962 CA TRP A 68 10.711 1.769 -3.073 1.00 0.00 C ATOM 963 C TRP A 68 9.806 0.593 -2.723 1.00 0.00 C ATOM 964 O TRP A 68 8.621 0.772 -2.443 1.00 0.00 O ATOM 965 CB TRP A 68 11.078 2.543 -1.806 1.00 0.00 C ATOM 966 CG TRP A 68 12.053 1.817 -0.929 1.00 0.00 C ATOM 967 CD1 TRP A 68 11.852 1.411 0.360 1.00 0.00 C ATOM 968 CD2 TRP A 68 13.382 1.415 -1.276 1.00 0.00 C ATOM 969 NE1 TRP A 68 12.977 0.780 0.835 1.00 0.00 N ATOM 970 CE2 TRP A 68 13.929 0.768 -0.150 1.00 0.00 C ATOM 971 CE3 TRP A 68 14.163 1.535 -2.428 1.00 0.00 C ATOM 972 CZ2 TRP A 68 15.220 0.247 -0.145 1.00 0.00 C ATOM 973 CZ3 TRP A 68 15.444 1.017 -2.422 1.00 0.00 C ATOM 974 CH2 TRP A 68 15.962 0.380 -1.288 1.00 0.00 C ATOM 0 H TRP A 68 9.314 3.226 -3.649 1.00 0.00 H new ATOM 0 HA TRP A 68 11.621 1.378 -3.528 1.00 0.00 H new ATOM 0 HB2 TRP A 68 11.501 3.507 -2.087 1.00 0.00 H new ATOM 0 HB3 TRP A 68 10.171 2.747 -1.238 1.00 0.00 H new ATOM 0 HD1 TRP A 68 10.943 1.563 0.923 1.00 0.00 H new ATOM 0 HE1 TRP A 68 13.085 0.385 1.769 1.00 0.00 H new ATOM 0 HE3 TRP A 68 13.772 2.024 -3.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 15.622 -0.244 0.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 16.056 1.105 -3.307 1.00 0.00 H new ATOM 0 HH2 TRP A 68 16.967 -0.014 -1.315 1.00 0.00 H new ATOM 985 N SER A 69 10.372 -0.609 -2.739 1.00 0.00 N ATOM 986 CA SER A 69 9.615 -1.815 -2.426 1.00 0.00 C ATOM 987 C SER A 69 9.598 -2.070 -0.922 1.00 0.00 C ATOM 988 O SER A 69 10.596 -1.860 -0.233 1.00 0.00 O ATOM 989 CB SER A 69 10.214 -3.022 -3.153 1.00 0.00 C ATOM 990 OG SER A 69 10.013 -2.925 -4.552 1.00 0.00 O ATOM 0 H SER A 69 11.353 -0.774 -2.966 1.00 0.00 H new ATOM 0 HA SER A 69 8.589 -1.669 -2.764 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.281 -3.087 -2.939 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.758 -3.939 -2.779 1.00 0.00 H new ATOM 0 HG SER A 69 10.406 -3.707 -4.994 1.00 0.00 H new ATOM 996 N CYS A 70 8.455 -2.526 -0.419 1.00 0.00 N ATOM 997 CA CYS A 70 8.304 -2.811 1.002 1.00 0.00 C ATOM 998 C CYS A 70 9.343 -3.827 1.467 1.00 0.00 C ATOM 999 O CYS A 70 10.043 -4.431 0.654 1.00 0.00 O ATOM 1000 CB CYS A 70 6.896 -3.334 1.292 1.00 0.00 C ATOM 1001 SG CYS A 70 6.720 -5.137 1.105 1.00 0.00 S ATOM 0 H CYS A 70 7.620 -2.706 -0.976 1.00 0.00 H new ATOM 0 HA CYS A 70 8.459 -1.883 1.552 1.00 0.00 H new ATOM 0 HB2 CYS A 70 6.619 -3.056 2.309 1.00 0.00 H new ATOM 0 HB3 CYS A 70 6.191 -2.840 0.623 1.00 0.00 H new ATOM 1006 N HIS A 71 9.436 -4.011 2.779 1.00 0.00 N ATOM 1007 CA HIS A 71 10.389 -4.956 3.354 1.00 0.00 C ATOM 1008 C HIS A 71 9.890 -6.390 3.200 1.00 0.00 C ATOM 1009 O HIS A 71 10.646 -7.282 2.812 1.00 0.00 O ATOM 1010 CB HIS A 71 10.625 -4.641 4.831 1.00 0.00 C ATOM 1011 CG HIS A 71 11.489 -3.438 5.056 1.00 0.00 C ATOM 1012 ND1 HIS A 71 10.980 -2.168 5.234 1.00 0.00 N ATOM 1013 CD2 HIS A 71 12.834 -3.317 5.134 1.00 0.00 C ATOM 1014 CE1 HIS A 71 11.976 -1.319 5.409 1.00 0.00 C ATOM 1015 NE2 HIS A 71 13.112 -1.990 5.354 1.00 0.00 N ATOM 0 H HIS A 71 8.864 -3.519 3.465 1.00 0.00 H new ATOM 0 HA HIS A 71 11.332 -4.857 2.815 1.00 0.00 H new ATOM 0 HB2 HIS A 71 9.663 -4.484 5.319 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.087 -5.505 5.309 1.00 0.00 H new ATOM 0 HD2 HIS A 71 13.555 -4.115 5.041 1.00 0.00 H new ATOM 0 HE1 HIS A 71 11.878 -0.256 5.570 1.00 0.00 H new ATOM 0 HE2 HIS A 71 14.044 -1.588 5.458 1.00 0.00 H new ATOM 1023 N TYR A 72 8.617 -6.605 3.509 1.00 0.00 N ATOM 1024 CA TYR A 72 8.019 -7.931 3.408 1.00 0.00 C ATOM 1025 C TYR A 72 7.574 -8.221 1.978 1.00 0.00 C ATOM 1026 O TYR A 72 6.448 -8.659 1.742 1.00 0.00 O ATOM 1027 CB TYR A 72 6.826 -8.049 4.359 1.00 0.00 C ATOM 1028 CG TYR A 72 7.148 -7.662 5.785 1.00 0.00 C ATOM 1029 CD1 TYR A 72 7.974 -8.456 6.571 1.00 0.00 C ATOM 1030 CD2 TYR A 72 6.628 -6.502 6.345 1.00 0.00 C ATOM 1031 CE1 TYR A 72 8.271 -8.106 7.875 1.00 0.00 C ATOM 1032 CE2 TYR A 72 6.919 -6.144 7.647 1.00 0.00 C ATOM 1033 CZ TYR A 72 7.741 -6.949 8.407 1.00 0.00 C ATOM 1034 OH TYR A 72 8.035 -6.597 9.706 1.00 0.00 O ATOM 0 H TYR A 72 7.978 -5.878 3.832 1.00 0.00 H new ATOM 0 HA TYR A 72 8.774 -8.665 3.690 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.017 -7.417 3.994 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.460 -9.076 4.344 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.391 -9.362 6.156 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.985 -5.869 5.752 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.914 -8.734 8.473 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.505 -5.239 8.067 1.00 0.00 H new ATOM 0 HH TYR A 72 7.584 -5.755 9.927 1.00 0.00 H new ATOM 1044 N CYS A 73 8.467 -7.973 1.026 1.00 0.00 N ATOM 1045 CA CYS A 73 8.168 -8.207 -0.382 1.00 0.00 C ATOM 1046 C CYS A 73 8.429 -9.663 -0.758 1.00 0.00 C ATOM 1047 O CYS A 73 8.869 -10.460 0.070 1.00 0.00 O ATOM 1048 CB CYS A 73 9.011 -7.282 -1.264 1.00 0.00 C ATOM 1049 SG CYS A 73 8.206 -5.697 -1.660 1.00 0.00 S ATOM 0 H CYS A 73 9.404 -7.610 1.204 1.00 0.00 H new ATOM 0 HA CYS A 73 7.112 -7.991 -0.545 1.00 0.00 H new ATOM 0 HB2 CYS A 73 9.957 -7.081 -0.762 1.00 0.00 H new ATOM 0 HB3 CYS A 73 9.247 -7.800 -2.194 1.00 0.00 H new ATOM 1054 N ASP A 74 8.155 -10.002 -2.014 1.00 0.00 N ATOM 1055 CA ASP A 74 8.361 -11.361 -2.501 1.00 0.00 C ATOM 1056 C ASP A 74 9.490 -11.405 -3.526 1.00 0.00 C ATOM 1057 O ASP A 74 10.304 -12.327 -3.528 1.00 0.00 O ATOM 1058 CB ASP A 74 7.072 -11.903 -3.120 1.00 0.00 C ATOM 1059 CG ASP A 74 5.960 -12.054 -2.101 1.00 0.00 C ATOM 1060 OD1 ASP A 74 6.000 -13.025 -1.317 1.00 0.00 O ATOM 1061 OD2 ASP A 74 5.049 -11.199 -2.088 1.00 0.00 O ATOM 0 H ASP A 74 7.790 -9.354 -2.712 1.00 0.00 H new ATOM 0 HA ASP A 74 8.640 -11.987 -1.653 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.744 -11.233 -3.915 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.272 -12.870 -3.581 1.00 0.00 H new ATOM 1066 N ASN A 75 9.532 -10.401 -4.397 1.00 0.00 N ATOM 1067 CA ASN A 75 10.560 -10.327 -5.429 1.00 0.00 C ATOM 1068 C ASN A 75 11.845 -9.722 -4.873 1.00 0.00 C ATOM 1069 O ASN A 75 12.529 -8.957 -5.555 1.00 0.00 O ATOM 1070 CB ASN A 75 10.063 -9.498 -6.615 1.00 0.00 C ATOM 1071 CG ASN A 75 9.345 -10.340 -7.650 1.00 0.00 C ATOM 1072 OD1 ASN A 75 9.895 -10.649 -8.707 1.00 0.00 O ATOM 1073 ND2 ASN A 75 8.108 -10.719 -7.350 1.00 0.00 N ATOM 0 H ASN A 75 8.866 -9.628 -4.408 1.00 0.00 H new ATOM 0 HA ASN A 75 10.774 -11.341 -5.768 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.390 -8.720 -6.254 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.909 -8.996 -7.083 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.576 -11.289 -8.007 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.690 -10.440 -6.462 1.00 0.00 H new ATOM 1080 N ILE A 76 12.168 -10.070 -3.632 1.00 0.00 N ATOM 1081 CA ILE A 76 13.372 -9.562 -2.986 1.00 0.00 C ATOM 1082 C ILE A 76 14.609 -10.322 -3.454 1.00 0.00 C ATOM 1083 O ILE A 76 14.769 -11.505 -3.163 1.00 0.00 O ATOM 1084 CB ILE A 76 13.272 -9.661 -1.452 1.00 0.00 C ATOM 1085 CG1 ILE A 76 12.125 -8.789 -0.937 1.00 0.00 C ATOM 1086 CG2 ILE A 76 14.589 -9.252 -0.808 1.00 0.00 C ATOM 1087 CD1 ILE A 76 11.821 -8.998 0.530 1.00 0.00 C ATOM 0 H ILE A 76 11.613 -10.701 -3.054 1.00 0.00 H new ATOM 0 HA ILE A 76 13.464 -8.513 -3.269 1.00 0.00 H new ATOM 0 HB ILE A 76 13.065 -10.696 -1.181 1.00 0.00 H new ATOM 0 HG12 ILE A 76 12.373 -7.741 -1.103 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.228 -9.000 -1.520 1.00 0.00 H new ATOM 0 HG21 ILE A 76 14.503 -9.327 0.276 1.00 0.00 H new ATOM 0 HG22 ILE A 76 15.384 -9.912 -1.155 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.825 -8.224 -1.083 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.998 -8.348 0.827 1.00 0.00 H new ATOM 0 HD12 ILE A 76 11.542 -10.038 0.699 1.00 0.00 H new ATOM 0 HD13 ILE A 76 12.704 -8.759 1.122 1.00 0.00 H new ATOM 1099 N ASN A 77 15.482 -9.630 -4.179 1.00 0.00 N ATOM 1100 CA ASN A 77 16.706 -10.239 -4.687 1.00 0.00 C ATOM 1101 C ASN A 77 17.927 -9.406 -4.305 1.00 0.00 C ATOM 1102 O ASN A 77 18.916 -9.933 -3.794 1.00 0.00 O ATOM 1103 CB ASN A 77 16.633 -10.389 -6.207 1.00 0.00 C ATOM 1104 CG ASN A 77 15.886 -11.639 -6.629 1.00 0.00 C ATOM 1105 OD1 ASN A 77 14.714 -11.579 -7.001 1.00 0.00 O ATOM 1106 ND2 ASN A 77 16.562 -12.781 -6.572 1.00 0.00 N ATOM 0 H ASN A 77 15.365 -8.648 -4.428 1.00 0.00 H new ATOM 0 HA ASN A 77 16.805 -11.226 -4.236 1.00 0.00 H new ATOM 0 HB2 ASN A 77 16.141 -9.514 -6.633 1.00 0.00 H new ATOM 0 HB3 ASN A 77 17.643 -10.417 -6.616 1.00 0.00 H new ATOM 0 HD21 ASN A 77 16.111 -13.655 -6.843 1.00 0.00 H new ATOM 0 HD22 ASN A 77 17.532 -12.784 -6.257 1.00 0.00 H new ATOM 1113 N LEU A 78 17.849 -8.103 -4.555 1.00 0.00 N ATOM 1114 CA LEU A 78 18.946 -7.197 -4.236 1.00 0.00 C ATOM 1115 C LEU A 78 18.453 -6.014 -3.408 1.00 0.00 C ATOM 1116 O LEU A 78 17.533 -5.301 -3.811 1.00 0.00 O ATOM 1117 CB LEU A 78 19.607 -6.694 -5.520 1.00 0.00 C ATOM 1118 CG LEU A 78 21.004 -6.091 -5.366 1.00 0.00 C ATOM 1119 CD1 LEU A 78 22.068 -7.167 -5.510 1.00 0.00 C ATOM 1120 CD2 LEU A 78 21.222 -4.982 -6.386 1.00 0.00 C ATOM 0 H LEU A 78 17.038 -7.651 -4.977 1.00 0.00 H new ATOM 0 HA LEU A 78 19.680 -7.748 -3.648 1.00 0.00 H new ATOM 0 HB2 LEU A 78 19.668 -7.525 -6.223 1.00 0.00 H new ATOM 0 HB3 LEU A 78 18.957 -5.943 -5.969 1.00 0.00 H new ATOM 0 HG LEU A 78 21.085 -5.660 -4.368 1.00 0.00 H new ATOM 0 HD11 LEU A 78 23.056 -6.720 -5.398 1.00 0.00 H new ATOM 0 HD12 LEU A 78 21.924 -7.926 -4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 78 21.988 -7.628 -6.495 1.00 0.00 H new ATOM 0 HD21 LEU A 78 22.221 -4.565 -6.262 1.00 0.00 H new ATOM 0 HD22 LEU A 78 21.121 -5.388 -7.392 1.00 0.00 H new ATOM 0 HD23 LEU A 78 20.480 -4.198 -6.235 1.00 0.00 H new ATOM 1132 N LEU A 79 19.072 -5.811 -2.250 1.00 0.00 N ATOM 1133 CA LEU A 79 18.698 -4.713 -1.365 1.00 0.00 C ATOM 1134 C LEU A 79 19.905 -3.840 -1.042 1.00 0.00 C ATOM 1135 O LEU A 79 20.514 -3.970 0.020 1.00 0.00 O ATOM 1136 CB LEU A 79 18.089 -5.259 -0.072 1.00 0.00 C ATOM 1137 CG LEU A 79 17.108 -4.336 0.650 1.00 0.00 C ATOM 1138 CD1 LEU A 79 15.843 -4.150 -0.174 1.00 0.00 C ATOM 1139 CD2 LEU A 79 16.772 -4.887 2.029 1.00 0.00 C ATOM 0 H LEU A 79 19.835 -6.392 -1.902 1.00 0.00 H new ATOM 0 HA LEU A 79 17.957 -4.101 -1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 79 17.576 -6.193 -0.302 1.00 0.00 H new ATOM 0 HB3 LEU A 79 18.901 -5.502 0.614 1.00 0.00 H new ATOM 0 HG LEU A 79 17.582 -3.362 0.775 1.00 0.00 H new ATOM 0 HD11 LEU A 79 15.157 -3.490 0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 79 16.098 -3.709 -1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 79 15.366 -5.117 -0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 79 16.072 -4.217 2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 79 16.319 -5.873 1.926 1.00 0.00 H new ATOM 0 HD23 LEU A 79 17.684 -4.966 2.621 1.00 0.00 H new ATOM 1151 N LEU A 80 20.244 -2.944 -1.964 1.00 0.00 N ATOM 1152 CA LEU A 80 21.378 -2.046 -1.777 1.00 0.00 C ATOM 1153 C LEU A 80 22.516 -2.749 -1.043 1.00 0.00 C ATOM 1154 O LEU A 80 23.147 -2.173 -0.155 1.00 0.00 O ATOM 1155 CB LEU A 80 20.945 -0.802 -0.998 1.00 0.00 C ATOM 1156 CG LEU A 80 21.949 0.351 -0.963 1.00 0.00 C ATOM 1157 CD1 LEU A 80 22.210 0.875 -2.367 1.00 0.00 C ATOM 1158 CD2 LEU A 80 21.445 1.468 -0.060 1.00 0.00 C ATOM 0 H LEU A 80 19.750 -2.821 -2.848 1.00 0.00 H new ATOM 0 HA LEU A 80 21.737 -1.745 -2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 80 20.014 -0.434 -1.429 1.00 0.00 H new ATOM 0 HB3 LEU A 80 20.726 -1.098 0.028 1.00 0.00 H new ATOM 0 HG LEU A 80 22.889 -0.023 -0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 80 22.927 1.695 -2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 80 22.614 0.073 -2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.276 1.233 -2.801 1.00 0.00 H new ATOM 0 HD21 LEU A 80 22.171 2.281 -0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.492 1.839 -0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 80 21.310 1.085 0.952 1.00 0.00 H new ATOM 1170 N THR A 81 22.774 -3.998 -1.419 1.00 0.00 N ATOM 1171 CA THR A 81 23.836 -4.779 -0.797 1.00 0.00 C ATOM 1172 C THR A 81 24.457 -5.752 -1.793 1.00 0.00 C ATOM 1173 O THR A 81 23.771 -6.281 -2.668 1.00 0.00 O ATOM 1174 CB THR A 81 23.314 -5.568 0.418 1.00 0.00 C ATOM 1175 OG1 THR A 81 22.746 -4.671 1.377 1.00 0.00 O ATOM 1176 CG2 THR A 81 24.436 -6.368 1.065 1.00 0.00 C ATOM 0 H THR A 81 22.262 -4.490 -2.151 1.00 0.00 H new ATOM 0 HA THR A 81 24.595 -4.072 -0.462 1.00 0.00 H new ATOM 0 HB THR A 81 22.547 -6.261 0.072 1.00 0.00 H new ATOM 0 HG1 THR A 81 21.846 -4.412 1.089 1.00 0.00 H new ATOM 0 HG21 THR A 81 24.044 -6.917 1.921 1.00 0.00 H new ATOM 0 HG22 THR A 81 24.847 -7.071 0.340 1.00 0.00 H new ATOM 0 HG23 THR A 81 25.221 -5.690 1.398 1.00 0.00 H new ATOM 1184 N GLU A 82 25.758 -5.984 -1.654 1.00 0.00 N ATOM 1185 CA GLU A 82 26.470 -6.895 -2.542 1.00 0.00 C ATOM 1186 C GLU A 82 27.169 -7.995 -1.748 1.00 0.00 C ATOM 1187 O GLU A 82 27.317 -9.120 -2.224 1.00 0.00 O ATOM 1188 CB GLU A 82 27.495 -6.127 -3.380 1.00 0.00 C ATOM 1189 CG GLU A 82 28.515 -5.367 -2.550 1.00 0.00 C ATOM 1190 CD GLU A 82 27.961 -4.071 -1.989 1.00 0.00 C ATOM 1191 OE1 GLU A 82 27.319 -3.320 -2.753 1.00 0.00 O ATOM 1192 OE2 GLU A 82 28.170 -3.809 -0.786 1.00 0.00 O ATOM 0 H GLU A 82 26.340 -5.554 -0.935 1.00 0.00 H new ATOM 0 HA GLU A 82 25.740 -7.358 -3.206 1.00 0.00 H new ATOM 0 HB2 GLU A 82 28.018 -6.828 -4.030 1.00 0.00 H new ATOM 0 HB3 GLU A 82 26.969 -5.424 -4.027 1.00 0.00 H new ATOM 0 HG2 GLU A 82 28.853 -5.999 -1.729 1.00 0.00 H new ATOM 0 HG3 GLU A 82 29.388 -5.149 -3.165 1.00 0.00 H new ATOM 1199 N GLU A 83 27.597 -7.660 -0.534 1.00 0.00 N ATOM 1200 CA GLU A 83 28.281 -8.619 0.325 1.00 0.00 C ATOM 1201 C GLU A 83 27.277 -9.467 1.101 1.00 0.00 C ATOM 1202 O GLU A 83 26.276 -8.957 1.605 1.00 0.00 O ATOM 1203 CB GLU A 83 29.211 -7.892 1.298 1.00 0.00 C ATOM 1204 CG GLU A 83 30.618 -7.691 0.760 1.00 0.00 C ATOM 1205 CD GLU A 83 30.635 -6.962 -0.570 1.00 0.00 C ATOM 1206 OE1 GLU A 83 30.471 -7.628 -1.614 1.00 0.00 O ATOM 1207 OE2 GLU A 83 30.812 -5.726 -0.567 1.00 0.00 O ATOM 0 H GLU A 83 27.482 -6.733 -0.124 1.00 0.00 H new ATOM 0 HA GLU A 83 28.874 -9.278 -0.309 1.00 0.00 H new ATOM 0 HB2 GLU A 83 28.781 -6.920 1.540 1.00 0.00 H new ATOM 0 HB3 GLU A 83 29.264 -8.458 2.228 1.00 0.00 H new ATOM 0 HG2 GLU A 83 31.204 -7.128 1.486 1.00 0.00 H new ATOM 0 HG3 GLU A 83 31.101 -8.661 0.645 1.00 0.00 H new ATOM 1214 N SER A 84 27.553 -10.763 1.193 1.00 0.00 N ATOM 1215 CA SER A 84 26.673 -11.684 1.903 1.00 0.00 C ATOM 1216 C SER A 84 26.458 -11.228 3.344 1.00 0.00 C ATOM 1217 O SER A 84 27.404 -10.849 4.034 1.00 0.00 O ATOM 1218 CB SER A 84 27.256 -13.098 1.886 1.00 0.00 C ATOM 1219 OG SER A 84 27.196 -13.658 0.585 1.00 0.00 O ATOM 0 H SER A 84 28.379 -11.200 0.785 1.00 0.00 H new ATOM 0 HA SER A 84 25.709 -11.691 1.394 1.00 0.00 H new ATOM 0 HB2 SER A 84 28.291 -13.072 2.227 1.00 0.00 H new ATOM 0 HB3 SER A 84 26.706 -13.730 2.583 1.00 0.00 H new ATOM 0 HG SER A 84 27.576 -14.561 0.600 1.00 0.00 H new ATOM 1225 N GLY A 85 25.206 -11.268 3.791 1.00 0.00 N ATOM 1226 CA GLY A 85 24.889 -10.857 5.146 1.00 0.00 C ATOM 1227 C GLY A 85 23.423 -10.513 5.319 1.00 0.00 C ATOM 1228 O GLY A 85 23.035 -9.344 5.330 1.00 0.00 O ATOM 0 H GLY A 85 24.406 -11.578 3.239 1.00 0.00 H new ATOM 0 HA2 GLY A 85 25.155 -11.657 5.837 1.00 0.00 H new ATOM 0 HA3 GLY A 85 25.496 -9.991 5.411 1.00 0.00 H new ATOM 1232 N PRO A 86 22.581 -11.547 5.458 1.00 0.00 N ATOM 1233 CA PRO A 86 21.136 -11.374 5.633 1.00 0.00 C ATOM 1234 C PRO A 86 20.784 -10.780 6.992 1.00 0.00 C ATOM 1235 O PRO A 86 19.610 -10.637 7.333 1.00 0.00 O ATOM 1236 CB PRO A 86 20.591 -12.799 5.515 1.00 0.00 C ATOM 1237 CG PRO A 86 21.730 -13.674 5.912 1.00 0.00 C ATOM 1238 CD PRO A 86 22.975 -12.966 5.454 1.00 0.00 C ATOM 0 HA PRO A 86 20.717 -10.681 4.903 1.00 0.00 H new ATOM 0 HB2 PRO A 86 19.730 -12.949 6.167 1.00 0.00 H new ATOM 0 HB3 PRO A 86 20.262 -13.014 4.498 1.00 0.00 H new ATOM 0 HG2 PRO A 86 21.744 -13.830 6.991 1.00 0.00 H new ATOM 0 HG3 PRO A 86 21.647 -14.657 5.448 1.00 0.00 H new ATOM 0 HD2 PRO A 86 23.813 -13.152 6.125 1.00 0.00 H new ATOM 0 HD3 PRO A 86 23.282 -13.295 4.461 1.00 0.00 H new ATOM 1246 N SER A 87 21.809 -10.433 7.765 1.00 0.00 N ATOM 1247 CA SER A 87 21.607 -9.857 9.089 1.00 0.00 C ATOM 1248 C SER A 87 21.152 -8.404 8.985 1.00 0.00 C ATOM 1249 O SER A 87 21.820 -7.496 9.477 1.00 0.00 O ATOM 1250 CB SER A 87 22.897 -9.941 9.907 1.00 0.00 C ATOM 1251 OG SER A 87 23.139 -11.268 10.342 1.00 0.00 O ATOM 0 H SER A 87 22.787 -10.541 7.497 1.00 0.00 H new ATOM 0 HA SER A 87 20.828 -10.429 9.592 1.00 0.00 H new ATOM 0 HB2 SER A 87 23.737 -9.593 9.305 1.00 0.00 H new ATOM 0 HB3 SER A 87 22.828 -9.279 10.770 1.00 0.00 H new ATOM 0 HG SER A 87 23.970 -11.296 10.861 1.00 0.00 H new ATOM 1257 N SER A 88 20.007 -8.194 8.341 1.00 0.00 N ATOM 1258 CA SER A 88 19.463 -6.852 8.169 1.00 0.00 C ATOM 1259 C SER A 88 17.938 -6.887 8.124 1.00 0.00 C ATOM 1260 O SER A 88 17.345 -7.581 7.300 1.00 0.00 O ATOM 1261 CB SER A 88 20.008 -6.218 6.887 1.00 0.00 C ATOM 1262 OG SER A 88 20.026 -4.805 6.986 1.00 0.00 O ATOM 0 H SER A 88 19.439 -8.935 7.931 1.00 0.00 H new ATOM 0 HA SER A 88 19.771 -6.249 9.023 1.00 0.00 H new ATOM 0 HB2 SER A 88 21.016 -6.585 6.696 1.00 0.00 H new ATOM 0 HB3 SER A 88 19.393 -6.519 6.039 1.00 0.00 H new ATOM 0 HG SER A 88 20.380 -4.423 6.156 1.00 0.00 H new ATOM 1268 N GLY A 89 17.309 -6.130 9.018 1.00 0.00 N ATOM 1269 CA GLY A 89 15.859 -6.087 9.065 1.00 0.00 C ATOM 1270 C GLY A 89 15.336 -4.807 9.686 1.00 0.00 C ATOM 1271 O GLY A 89 16.117 -4.071 10.287 1.00 0.00 O ATOM 0 H GLY A 89 17.778 -5.546 9.710 1.00 0.00 H new ATOM 0 HA2 GLY A 89 15.463 -6.185 8.054 1.00 0.00 H new ATOM 0 HA3 GLY A 89 15.492 -6.940 9.635 1.00 0.00 H new TER 1275 GLY A 89 HETATM 1276 ZN ZN A 201 -4.187 3.202 7.386 1.00 0.00 ZN HETATM 1277 ZN ZN A 401 5.916 -5.732 -1.044 1.00 0.00 ZN